General Information of the Compound
| Compound ID |
CP0390220
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| Compound Name |
3-[2-({[1-(3,5-Difluorophenyl)-3-methylbutyl]amino}-carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C28H29F2NO4
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| Molecular Weight |
481.539
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C28H29F2NO4/c1-18(2)12-26(21-14-22(29)16-23(30)15-21)31-28(34)25-13-19(8-9-20(25)10-11-27(32)33)17-35-24-6-4-3-5-7-24/h3-9,13-16,18,26H,10-12,17H2,1-2H3,(H,31,34)(H,32,33)
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| InChIKey |
REBKSXOXFFOVNC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound